4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine

C14H13ClN6 — CID 82459684

IUPAC4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine
SMILESCc1nc2nc(NCc3cccnc3)nc(Cl)c2nc1C
InChIInChI=1S/C14H13ClN6/c1-8-9(2)19-13-11(18-8)12(15)20-14(21-13)17-7-10-4-3-5-16-6-10/h3-6H,7H2,1-2H3,(H,17,19,20,21)
InChIKeyHGRGXWQPSYMCCE-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine

4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine (PubChem CID 82459684) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine.

Molecular Properties

Compound Name4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine
PubChem CID82459684
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine
SMILESCc1nc2nc(NCc3cccnc3)nc(Cl)c2nc1C
InChIInChI=1S/C14H13ClN6/c1-8-9(2)19-13-11(18-8)12(15)20-14(21-13)17-7-10-4-3-5-16-6-10/h3-6H,7H2,1-2H3,(H,17,19,20,21)
InChIKeyHGRGXWQPSYMCCE-UHFFFAOYSA-N
XLogP2.70
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 56695154
5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117089684
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine?
The IUPAC name of 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine (CID 82459684) is 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine.
What is the SMILES notation for 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine?
The canonical SMILES for 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine is Cc1nc2nc(NCc3cccnc3)nc(Cl)c2nc1C.
What is the InChIKey of 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine?
The InChIKey is HGRGXWQPSYMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-8-9(2)19-13-11(18-8)12(15)20-14(21-13)17-7-10-4-3-5-16-6-10/h3-6H,7H2,1-2H3,(H,17,19,20,21).
What are the key properties of 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine?
4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethyl-N-(pyridin-3-ylmethyl)pteridin-2-amine is sourced from PubChem (CID 82459684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).